Geometry & MOs

Info

ID:	20363
PubChem CID:	583335
Reduced:	NOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	147.068414
ΔH_f, kcal/mol:	0.42
Dipole, Da:	5.65
IP(EA), eV:	-9.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxyethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)O

DOS

IR

Vibrations